2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenyl-quinazolin-4-one iodide

Systemtic Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenyl-quinazolin-4-one iodide Openeye Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenyl-quinazolin-4-one iodide CAS Name: 2-[2-(1-methyl-1-piperidin-1-iumyl)ethylthio]-3-phenyl-4-quinazolinone iodide IUPAC Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenylquinazolin-4-one iodide Traditional Name: 2-[2-(1-methylpiperidin-1-ium-1-yl)ethylthio]-3-phenyl-quinazolin-4-one iodide Formula: C22H26IN3OS MolecularWeight: 507.43081

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H26N3OS.HI/c1-25(14-8-3-9-15-25)16-17-27-22-23-20-13-7-6-12-19(20)21(26)24(22)18-10-4-2-5-11-18;/h2,4-7,10-13H,3,8-9,14-17H2,1H3;1H/q+1;/p-1